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

Systemtic Name: 6-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)O)C

InChI

InChI=1S/C17H17ClN2O3S/c1-8-6-10(11(16(22)23)7-9(8)2)15(21)20-17-19-14-12(18)4-3-5-13(14)24-17/h3-5,10-11H,6-7H2,1-2H3,(H,22,23)(H,19,20,21)