5-[4-(4-azanyl-1,3-benzoxazol-2-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(4-azanyl-1,3-benzoxazol-2-yl)phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-(4-amino-1,3-benzoxazol-2-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(4-amino-1,3-benzoxazol-2-yl)phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(4-amino-1,3-benzoxazol-2-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-(4-amino-1,3-benzoxazol-2-yl)phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NC5=C(C=CC=C5O4)N)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NC5=C(C=CC=C5O4)N)C(=O)O)C(C)C

InChI

InChI=1S/C29H31N3O4S/c1-16(2)32(28(33)20-9-7-17(3)8-10-20)22-15-24(37-26(22)29(34)35)18-11-13-19(14-12-18)27-31-25-21(30)5-4-6-23(25)36-27/h4-6,11-17,20H,7-10,30H2,1-3H3,(H,34,35)