ethyl 4-[2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-methyl-4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-methyl-4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C30H25N3O4S2 MolecularWeight: 555.6672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O4S2/c1-3-37-29(36)21-14-16-22(17-15-21)31-24(34)18-38-30-32-27-26(28(35)33(30)23-12-8-5-9-13-23)25(19(2)39-27)20-10-6-4-7-11-20/h4-17H,3,18H2,1-2H3,(H,31,34)