[2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-[[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]amino]-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]amino]-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-[[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CSC=C2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CSC=C2)CC3=CC=CS3)C

InChI

InChI=1S/C19H17N3O3S2/c1-12-13(2)22(9-15-4-3-6-27-15)18(16(12)8-20)21-17(23)10-25-19(24)14-5-7-26-11-14/h3-7,11H,9-10H2,1-2H3,(H,21,23)