1-[(4E)-4-(4-ethanoyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-1-yl]-2-methyl-butan-1-one

Systemtic Name: 1-[(4E)-4-(4-ethanoyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[(4E)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-thioxo-1-quinolyl]-2-methyl-butan-1-one CAS Name: 1-[(4E)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-1-quinolinyl]-2-methyl-1-butanone IUPAC Name: 1-[(4E)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-1-yl]-2-methylbutan-1-one Traditional Name: 1-[(4E)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-thioxo-1-quinolyl]-2-methyl-butan-1-one Formula: C29H31NO3S3 MolecularWeight: 537.75634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)C)C4=CC=CC=C4)C(=S)C1(C)C

Isomeric SMILES

CCC(C)C(=O)N1C2=C(C=C(C=C2)OCC)/C(=C\3/SC(=C(S3)C(=O)C)C4=CC=CC=C4)/C(=S)C1(C)C

InChI

InChI=1S/C29H31NO3S3/c1-7-17(3)27(32)30-22-15-14-20(33-8-2)16-21(22)23(26(34)29(30,5)6)28-35-24(18(4)31)25(36-28)19-12-10-9-11-13-19/h9-17H,7-8H2,1-6H3/b28-23-