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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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