ethyl 3-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(2-methoxy-2-oxo-ethyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2-methoxy-2-oxoethyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-keto-2-methoxy-ethyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-3-26-15(22)10-4-9(5-12(6-10)19(23)24)14(21)18-16-17-11(8-27-16)7-13(20)25-2/h4-6,8H,3,7H2,1-2H3,(H,17,18,21)