ethyl 2-[[2-[(2E)-2-[[5-bromanyl-2-(4-propoxyphenyl)carbonyloxy-phenyl]methylidene]hydrazinyl]-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-[(2E)-2-[[5-bromanyl-2-(4-propoxyphenyl)carbonyloxy-phenyl]methylidene]hydrazinyl]-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2E)-2-[[5-bromo-2-(4-propoxybenzoyl)oxy-phenyl]methylene]hydrazino]-2-oxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2E)-2-[[5-bromo-2-[oxo-(4-propoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2E)-2-[[5-bromo-2-(4-propoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(N'E)-N'-[5-bromo-2-(4-propoxybenzoyl)oxy-benzylidene]hydrazino]-2-keto-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H30BrN3O7S MolecularWeight: 656.5441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C30H30BrN3O7S/c1-3-15-40-21-12-9-18(10-13-21)29(37)41-23-14-11-20(31)16-19(23)17-32-34-27(36)26(35)33-28-25(30(38)39-4-2)22-7-5-6-8-24(22)42-28/h9-14,16-17H,3-8,15H2,1-2H3,(H,33,35)(H,34,36)/b32-17+