methyl 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(benzylamino)thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(phenylmethyl)amino]-4-thiazolyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(benzylamino)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(benzylamino)thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-11-15(17(22)23-3)12(2)20-16(11)14-10-24-18(21-14)19-9-13-7-5-4-6-8-13/h4-8,10,20H,9H2,1-3H3,(H,19,21)