[2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-[1-cyclopropylethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-[benzyl(1-cyclopropylethyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CSC(=N3)NCC=C

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CSC(=N3)NCC=C

InChI

InChI=1S/C21H25N3O3S/c1-3-11-22-21-23-18(14-28-21)20(26)27-13-19(25)24(15(2)17-9-10-17)12-16-7-5-4-6-8-16/h3-8,14-15,17H,1,9-13H2,2H3,(H,22,23)