propan-2-yl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6S/c1-13(2)30-22(27)12-18(16-7-5-6-8-19(16)24(28)29)23-21(26)10-9-20(25)17-11-14(3)31-15(17)4/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,23,26)