[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C24H26N4O3S/c1-17-13-19(9-10-21(17)28-11-5-6-12-28)26-22(29)15-31-23(30)20-16-32-24(27-20)25-14-18-7-3-2-4-8-18/h2-4,7-10,13,16H,5-6,11-12,14-15H2,1H3,(H,25,27)(H,26,29)