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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

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