(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CS3)N4C=NN=N4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CS3)N4C=NN=N4)C(C)C

InChI

InChI=1S/C20H18N4O4S/c1-11(2)14-8-15-13(7-18(25)28-17(15)6-12(14)3)9-27-20(26)19-16(4-5-29-19)24-10-21-22-23-24/h4-8,10-11H,9H2,1-3H3