methyl 5-(1,3-benzothiazol-2-ylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=NC3=CC=CC=C3S2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=NC3=CC=CC=C3S2)C)C(=O)OC

InChI

InChI=1S/C17H17N3O3S/c1-4-10-13(16(22)23-3)9(2)14(18-10)15(21)20-17-19-11-7-5-6-8-12(11)24-17/h5-8,18H,4H2,1-3H3,(H,19,20,21)