(1R,6S)-4-methyl-6-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-4-methyl-6-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-4-methyl-6-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-4-methyl-6-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-4-methyl-6-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-4-methyl-6-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H17N2O3S- MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)NC2=NC3=C(C=CC=C3S2)C)C(=O)[O-]

Isomeric SMILES

CC1=CC[C@H]([C@H](C1)C(=O)NC2=NC3=C(C=CC=C3S2)C)C(=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-9-6-7-11(16(21)22)12(8-9)15(20)19-17-18-14-10(2)4-3-5-13(14)23-17/h3-6,11-12H,7-8H2,1-2H3,(H,21,22)(H,18,19,20)/p-1/t11-,12+/m1/s1