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

Systemtic Name: 4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-methyl-6-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 4-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)O

InChI

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