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

Systemtic Name: methyl 3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[5-(acetamidomethyl)-2-furyl]thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-[5-(acetamidomethyl)-2-furanyl]-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[5-(acetamidomethyl)-2-furyl]thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16N4O7S MolecularWeight: 444.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16N4O7S/c1-10(24)20-8-14-3-4-16(30-14)15-9-31-19(21-15)22-17(25)11-5-12(18(26)29-2)7-13(6-11)23(27)28/h3-7,9H,8H2,1-2H3,(H,20,24)(H,21,22,25)