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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-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-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-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=CSC=C4)C

Isomeric SMILES

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

InChI

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