ethyl 1,3-dimethyl-2-phenyl-6-sulfanylidene-cyclohepta[c]pyrrole-5-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-2-phenyl-6-sulfanylidene-cyclohepta[c]pyrrole-5-carboxylate Openeye Name: ethyl 1,3-dimethyl-2-phenyl-6-thioxo-cyclohepta[c]pyrrole-5-carboxylate CAS Name: 1,3-dimethyl-2-phenyl-6-sulfanylidene-5-cyclohepta[c]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-2-phenyl-6-sulfanylidenecyclohepta[c]pyrrole-5-carboxylate Traditional Name: 1,3-dimethyl-2-phenyl-6-thioxo-cyclohepta[c]pyrrole-5-carboxylic acid ethyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=S)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N(C(=C2C=CC1=S)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19NO2S/c1-4-23-20(22)18-12-17-14(3)21(15-8-6-5-7-9-15)13(2)16(17)10-11-19(18)24/h5-12H,4H2,1-3H3