5-(3-azanyl-3-methyl-but-1-ynyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-(3-azanyl-3-methyl-but-1-ynyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophene-2-carboxylic acid Openeye Name: 5-(3-amino-3-methyl-but-1-ynyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 5-(3-amino-3-methylbut-1-ynyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-(3-amino-3-methylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid Traditional Name: 5-(3-amino-3-methyl-but-1-ynyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C#CC(C)(C)N)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C#CC(C)(C)N)C(=O)O)C(C)C

InChI

InChI=1S/C21H30N2O3S/c1-13(2)23(19(24)15-8-6-14(3)7-9-15)17-12-16(10-11-21(4,5)22)27-18(17)20(25)26/h12-15H,6-9,22H2,1-5H3,(H,25,26)