ethyl 4-[2-[2,4-bis(oxidanylidene)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2,4-bis(oxidanylidene)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2,4-dioxo-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(2,4-dioxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,4-dioxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,4-diketo-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O5S/c1-2-35-26(33)17-12-14-18(15-13-17)28-22(31)16-29-25-23(20-10-6-7-11-21(20)36-25)24(32)30(27(29)34)19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,28,31)