methyl 4-[3-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[(E)-2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)/C=C(\C#N)/C(=O)NCC3=CC=CS3

InChI

InChI=1S/C23H21N3O3S/c1-15-11-18(12-19(13-24)22(27)25-14-21-5-4-10-30-21)16(2)26(15)20-8-6-17(7-9-20)23(28)29-3/h4-12H,14H2,1-3H3,(H,25,27)/b19-12+