[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN4O7S MolecularWeight: 454.8416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O7S/c1-8(15(25)21-17-10(14(19)24)4-5-30-17)29-13(23)7-20-16(26)9-2-3-11(18)12(6-9)22(27)28/h2-6,8H,7H2,1H3,(H2,19,24)(H,20,26)(H,21,25)