ethyl 2,4-dimethyl-5-[2-[(7-methyl-4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(7-methyl-4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(3-allyl-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-allyl-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2CC=C)C

InChI

InChI=1S/C25H29N3O4S2/c1-6-10-28-23(30)20-16-9-8-13(3)11-18(16)34-22(20)27-25(28)33-12-17(29)21-14(4)19(15(5)26-21)24(31)32-7-2/h6,13,26H,1,7-12H2,2-5H3