(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[5-(2-thienyl)tetrazol-2-yl]acetate CAS Name: 2-(5-thiophen-2-yl-2-tetrazolyl)acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(5-thiophen-2-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(2-thienyl)tetrazol-2-yl]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CN3N=C(N=N3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CN3N=C(N=N3)C4=CC=CS4)C

InChI

InChI=1S/C19H16N4O4S/c1-11-5-6-14-13(8-16(24)27-18(14)12(11)2)10-26-17(25)9-23-21-19(20-22-23)15-4-3-7-28-15/h3-8H,9-10H2,1-2H3