ethyl 4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C

InChI

InChI=1S/C13H15N5O3S/c1-3-21-12(20)9-4-6-10(7-5-9)14-11(19)8-22-13-15-16-17-18(13)2/h4-7H,3,8H2,1-2H3,(H,14,19)