methyl 2-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-oxidanylidene-6-phenyl-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-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H23N3O4S3 MolecularWeight: 573.70562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3CC=C

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3CC=C

InChI

InChI=1S/C29H23N3O4S3/c1-3-14-32-27(34)20-15-22(18-10-6-4-7-11-18)38-25(20)31-29(32)37-17-24(33)30-26-21(28(35)36-2)16-23(39-26)19-12-8-5-9-13-19/h3-13,15-16H,1,14,17H2,2H3,(H,30,33)