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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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