methyl 2,4-dimethyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C20H21N3O4S2/c1-6-8-23-18(25)13-7-9-28-17(13)22-20(23)29-12(4)16(24)15-10(2)14(11(3)21-15)19(26)27-5/h6-7,9,12,21H,1,8H2,2-5H3