[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C21H25N3O6S/c1-3-4-10-29-15-7-5-14(6-8-15)20(28)23-12-17(25)30-13(2)19(27)24-21-16(18(22)26)9-11-31-21/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)/t13-/m1/s1