ethyl N-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4CCCCC4

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4CCCCC4

InChI

InChI=1S/C20H23N5O4S/c1-2-28-20(27)21-14-8-9-16-13(10-18(26)29-17(16)11-14)12-30-19-22-23-24-25(19)15-6-4-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,21,27)