methyl 2-[2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C30H25N3O4S3 MolecularWeight: 587.7322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC)CC=C

InChI

InChI=1S/C30H25N3O4S3/c1-4-14-33-28(35)25-22(19-12-10-18(2)11-13-19)16-38-27(25)32-30(33)39-17-24(34)31-26-21(29(36)37-3)15-23(40-26)20-8-6-5-7-9-20/h4-13,15-16H,1,14,17H2,2-3H3,(H,31,34)