methyl 3-[[3-[(Z)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[(Z)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[(Z)-2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[(Z)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(Z)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(Z)-2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NCC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)/C=C(/C#N)\C(=O)NCC4=CC=CS4

InChI

InChI=1S/C26H21N3O3S/c1-32-26(31)19-7-4-6-18(12-19)16-29-17-21(23-9-2-3-10-24(23)29)13-20(14-27)25(30)28-15-22-8-5-11-33-22/h2-13,17H,15-16H2,1H3,(H,28,30)/b20-13-