[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2,4-di(propan-2-yl)benzoate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2,4-di(propan-2-yl)benzoate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2,4-diisopropylbenzoate CAS Name: 2,4-di(propan-2-yl)benzoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-di(propan-2-yl)benzoate Traditional Name: 2,4-diisopropylbenzoic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N)C(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=C(C=C(C=C2)C(C)C)C(C)C

InChI

InChI=1S/C21H26N2O4S/c1-11(2)14-6-7-15(17(10-14)12(3)4)21(26)27-13(5)19(25)23-20-16(18(22)24)8-9-28-20/h6-13H,1-5H3,(H2,22,24)(H,23,25)/t13-/m0/s1