[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C17H15N3O4S/c1-9-3-4-12-14(5-9)25-17(19-12)20-15(22)8-24-16(23)13-6-11(7-18-13)10(2)21/h3-7,18H,8H2,1-2H3,(H,19,20,22)