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

Systemtic Name: butyl 4-[2-(6-methyl-4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C32H29N3O4S2 MolecularWeight: 583.72036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C32H29N3O4S2/c1-3-4-19-39-31(38)23-15-17-24(18-16-23)33-26(36)20-40-32-34-29-28(30(37)35(32)25-13-9-6-10-14-25)27(21(2)41-29)22-11-7-5-8-12-22/h5-18H,3-4,19-20H2,1-2H3,(H,33,36)