6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-[1,2]dithiolo[3,4-c]quinolin-1-one

Systemtic Name: 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)-[1,2]dithiolo[3,4-c]quinolin-1-one Openeye Name: 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)dithiolo[3,4-c]quinolin-1-one CAS Name: 6-methoxy-4,4-dimethyl-5-(1-oxo-3-phenylpropyl)-1-dithiolo[3,4-c]quinolinone IUPAC Name: 6-methoxy-4,4-dimethyl-5-(3-phenylpropanoyl)dithiolo[3,4-c]quinolin-1-one Traditional Name: 5-hydrocinnamoyl-6-methoxy-4,4-dimethyl-dithiolo[3,4-c]quinolin-1-one Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C3=C(N1C(=O)CCC4=CC=CC=C4)C(=CC=C3)OC)C(=O)SS2)C

Isomeric SMILES

CC1(C2=C(C3=C(N1C(=O)CCC4=CC=CC=C4)C(=CC=C3)OC)C(=O)SS2)C

InChI

InChI=1S/C22H21NO3S2/c1-22(2)20-18(21(25)28-27-20)15-10-7-11-16(26-3)19(15)23(22)17(24)13-12-14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3