ethyl 3-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(2-methylthiazol-4-yl)-2-furyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(2-methyl-4-thiazolyl)-2-furanyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(2-methylthiazol-4-yl)-2-furyl]methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(O2)C3=CSC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(O2)C3=CSC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c1-3-27-19(24)13-6-12(7-14(8-13)22(25)26)18(23)20-9-15-4-5-17(28-15)16-10-29-11(2)21-16/h4-8,10H,3,9H2,1-2H3,(H,20,23)