ethyl 4-[(E)-2-cyano-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(2-methylthiazol-4-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(2-methylthiazol-4-yl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC2=CSC(=N2)C)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)/C(=C/C2=CSC(=N2)C)/C#N)C)C

InChI

InChI=1S/C17H17N3O3S/c1-5-23-17(22)15-10(3)19-9(2)14(15)16(21)12(7-18)6-13-8-24-11(4)20-13/h6,8,19H,5H2,1-4H3/b12-6+