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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=NC3=CC=CC=C3S2)C

InChI

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