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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)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(O4)C=CC(=C5)N)C(=O)O)C(C)C

InChI

InChI=1S/C29H31N3O4S/c1-16(2)32(28(33)20-6-4-17(3)5-7-20)23-15-25(37-26(23)29(34)35)18-8-10-19(11-9-18)27-31-22-14-21(30)12-13-24(22)36-27/h8-17,20H,4-7,30H2,1-3H3,(H,34,35)