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

Systemtic Name: ethyl 5-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)C

InChI

InChI=1S/C17H16FN3O3S/c1-4-24-16(23)13-8(2)14(19-9(13)3)15(22)21-17-20-11-6-5-10(18)7-12(11)25-17/h5-7,19H,4H2,1-3H3,(H,20,21,22)