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

Systemtic Name: ethyl 5-(1,3-benzothiazol-2-ylmethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H19N3O3S/c1-4-24-18(23)15-10(2)16(20-11(15)3)17(22)19-9-14-21-12-7-5-6-8-13(12)25-14/h5-8,20H,4,9H2,1-3H3,(H,19,22)