methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S2/c1-22-10-19-21-18(22)30-15-6-5-11(8-13(15)23(26)27)17(25)20-12(9-16(24)28-2)14-4-3-7-29-14/h3-8,10,12H,9H2,1-2H3,(H,20,25)