[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CSC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CN2N=C(N=N2)C3=CSC=C3

InChI

InChI=1S/C17H15N5O4S/c1-11(23)18-14-4-2-12(3-5-14)15(24)9-26-16(25)8-22-20-17(19-21-22)13-6-7-27-10-13/h2-7,10H,8-9H2,1H3,(H,18,23)