N-(3-cyanophenyl)-2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]acetamide CAS Name: N-(3-cyanophenyl)-2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]acetamide Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H18N2O3S/c1-13-6-18-16(9-21(25)26-19(18)7-14(13)2)11-27-12-20(24)23-17-5-3-4-15(8-17)10-22/h3-9H,11-12H2,1-2H3,(H,23,24)