(3R)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoate

Systemtic Name: (3R)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(2-chloranyl-5-nitro-phenyl)propanoate Openeye Name: (3R)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitro-phenyl)propanoate CAS Name: (3R)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(2-chloro-5-nitrophenyl)propanoate IUPAC Name: (3R)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoate Traditional Name: (3R)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitro-phenyl)propionate Formula: C18H11Cl2N2O5S- MolecularWeight: 438.26134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)[O-])C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)N[C@H](CC(=O)[O-])C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C18H12Cl2N2O5S/c19-12-6-5-9(22(26)27)7-11(12)13(8-15(23)24)21-18(25)17-16(20)10-3-1-2-4-14(10)28-17/h1-7,13H,8H2,(H,21,25)(H,23,24)/p-1/t13-/m1/s1