1,2,2-trimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1,2,2-trimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid Openeye Name: 1,2,2-trimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentanecarboxylic acid CAS Name: 1,2,2-trimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1,2,2-trimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid Traditional Name: 1,2,2-trimethyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclopentanecarboxylic acid Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCC(C4(C)C)(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCC(C4(C)C)(C)C(=O)O

InChI

InChI=1S/C24H26N2O3S/c1-14-5-10-18-19(13-14)30-21(26-18)15-6-8-16(9-7-15)25-20(27)17-11-12-24(4,22(28)29)23(17,2)3/h5-10,13,17H,11-12H2,1-4H3,(H,25,27)(H,28,29)