(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C18H13N5O5S MolecularWeight: 411.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CS3)N4C=NN=N4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CS3)N4C=NN=N4

InChI

InChI=1S/C18H13N5O5S/c1-10(24)20-12-2-3-13-11(6-16(25)28-15(13)7-12)8-27-18(26)17-14(4-5-29-17)23-9-19-21-22-23/h2-7,9H,8H2,1H3,(H,20,24)