ethyl 5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-4-[(3-chlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-4-(3-chlorobenzyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=C(C#N)C(=S)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)/C=C(\C#N)/C(=S)N)C

InChI

InChI=1S/C19H18ClN3O2S/c1-3-25-19(24)17-11(2)23-16(9-13(10-21)18(22)26)15(17)8-12-5-4-6-14(20)7-12/h4-7,9,23H,3,8H2,1-2H3,(H2,22,26)/b13-9+