ethyl 5-azanyl-4-cyano-3-[[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H24N4O3S/c1-4-13-8-6-7-9-16(13)23-17(25)12-24(3)11-15-14(10-21)19(22)28-18(15)20(26)27-5-2/h6-9H,4-5,11-12,22H2,1-3H3,(H,23,25)