[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C19H17BrN2O4S/c1-25-11-6-7-15(20)13(8-11)19(24)26-10-17(23)22-18-14(9-21)12-4-2-3-5-16(12)27-18/h6-8H,2-5,10H2,1H3,(H,22,23)