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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C26H23N3O6S3 MolecularWeight: 569.67232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C(=O)OC

InChI

InChI=1S/C26H23N3O6S3/c1-5-11-29-23(31)19-16(15-9-7-6-8-10-15)12-36-21(19)28-26(29)37-13-17(30)27-22-18(24(32)34-3)14(2)20(38-22)25(33)35-4/h5-10,12H,1,11,13H2,2-4H3,(H,27,30)