methyl 5-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O3S/c1-9-14(17(22)23-3)10(2)19-15(9)16(21)18-8-13-20-11-6-4-5-7-12(11)24-13/h4-7,19H,8H2,1-3H3,(H,18,21)