propan-2-yl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H19ClN2O5S/c1-12(2)29-18(25)11-15(13-7-3-5-9-16(13)24(27)28)23-21(26)20-19(22)14-8-4-6-10-17(14)30-20/h3-10,12,15H,11H2,1-2H3,(H,23,26)