[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)COC(=O)C4=CC=CN4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)COC(=O)C4=CC=CN4

InChI

InChI=1S/C22H19N3O3S/c1-15-7-5-11-18-20(15)24-22(29-18)25(13-16-8-3-2-4-9-16)19(26)14-28-21(27)17-10-6-12-23-17/h2-12,23H,13-14H2,1H3