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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=NN2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=NN2C

InChI

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