methyl (4S)-2-methyl-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3(C(=C(NC3=O)C)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N[C@]3(C(=C(NC3=O)C)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-7-5-4-6-9-11(7)21-14(26-9)22-15(16(17,18)19)10(12(23)25-3)8(2)20-13(15)24/h4-6H,1-3H3,(H,20,24)(H,21,22)/t15-/m0/s1