(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C17H13N3O5S2/c21-15(7-18-16(22)11-2-1-3-14(6-11)20(23)24)25-8-13-10-27-17(19-13)12-4-5-26-9-12/h1-6,9-10H,7-8H2,(H,18,22)