methyl 2,4-dimethyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O5S2/c1-8-13(16(22)25-3)9(2)18-14(8)15(21)20-17-19-11-6-5-10(27(4,23)24)7-12(11)26-17/h5-7,18H,1-4H3,(H,19,20,21)