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

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-N-(3-nitrophenyl)acetamide Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N2O5S/c1-12-6-17-14(8-20(24)27-18(17)7-13(12)2)10-28-11-19(23)21-15-4-3-5-16(9-15)22(25)26/h3-9H,10-11H2,1-2H3,(H,21,23)