ethyl N-[4-[(2-methylphenyl)methylsulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[(2-methylphenyl)methylsulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-(o-tolylmethylsulfanylmethyl)-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(2-methylphenyl)methylthio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(2-methylphenyl)methylsulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[2-keto-4-[[(2-methylbenzyl)thio]methyl]chromen-7-yl]carbamic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3C

InChI

InChI=1S/C21H21NO4S/c1-3-25-21(24)22-17-8-9-18-16(10-20(23)26-19(18)11-17)13-27-12-15-7-5-4-6-14(15)2/h4-11H,3,12-13H2,1-2H3,(H,22,24)