(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CN3N=C(N=N3)C4=CSC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CN3N=C(N=N3)C4=CSC=C4)O

InChI

InChI=1S/C19H16N4O5S/c1-2-11-5-14-13(6-17(25)28-16(14)7-15(11)24)9-27-18(26)8-23-21-19(20-22-23)12-3-4-29-10-12/h3-7,10,24H,2,8-9H2,1H3