[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C21H25N3O6S/c1-4-29-14-7-5-13(6-8-14)19(27)24-17(12(2)3)21(28)30-11-16(25)23-20-15(18(22)26)9-10-31-20/h5-10,12,17H,4,11H2,1-3H3,(H2,22,26)(H,23,25)(H,24,27)/t17-/m0/s1