(1S,6S)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=CCC3C(=O)O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CC(=CC[C@@H]3C(=O)O)C

InChI

InChI=1S/C18H20N2O4S/c1-3-24-11-5-7-14-15(9-11)25-18(19-14)20-16(21)13-8-10(2)4-6-12(13)17(22)23/h4-5,7,9,12-13H,3,6,8H2,1-2H3,(H,22,23)(H,19,20,21)/t12-,13-/m0/s1