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

Systemtic Name: (1S,6S)-4-methyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-4-methyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-methyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-4-methyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-methyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C23H21N2O3S- MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C(=O)[O-]

Isomeric SMILES

CC1=CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C(=O)[O-]

InChI

InChI=1S/C23H22N2O3S/c1-13-3-9-17(23(27)28)18(11-13)21(26)24-16-7-5-15(6-8-16)22-25-19-10-4-14(2)12-20(19)29-22/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,27,28)/p-1/t17-,18-/m0/s1