2-[3-oxidanylidene-2-(phenylmethyl)-6-(1,2,3,4-tetrazol-1-yl)-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-2-(phenylmethyl)-6-(1,2,3,4-tetrazol-1-yl)-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[2-benzyl-3-oxo-6-(tetrazol-1-yl)-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[3-oxo-2-(phenylmethyl)-6-(1-tetrazolyl)-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[2-benzyl-3-oxo-6-(tetrazol-1-yl)-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[2-benzyl-3-keto-6-(tetrazol-1-yl)-1,4-benzothiazin-4-yl]acetic acid Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=CC(=C3)N4C=NN=N4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=CC(=C3)N4C=NN=N4)CC(=O)O

InChI

InChI=1S/C18H15N5O3S/c24-17(25)10-22-14-9-13(23-11-19-20-21-23)6-7-15(14)27-16(18(22)26)8-12-4-2-1-3-5-12/h1-7,9,11,16H,8,10H2,(H,24,25)