1,3-benzothiazol-2-ylmethyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4CC4)C

InChI

InChI=1S/C19H18N2O3S2/c1-10-11(2)25-18(21-17(22)12-7-8-12)16(10)19(23)24-9-15-20-13-5-3-4-6-14(13)26-15/h3-6,12H,7-9H2,1-2H3,(H,21,22)