diethyl 3-methyl-5-[2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H29N3O6S3 MolecularWeight: 575.71996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

InChI

InChI=1S/C26H29N3O6S3/c1-5-12-29-23(31)19-15-10-8-9-11-16(15)37-22(19)28-26(29)36-13-17(30)27-21-18(24(32)34-6-2)14(4)20(38-21)25(33)35-7-3/h5H,1,6-13H2,2-4H3,(H,27,30)