ethyl 2-[[2-oxidanylidene-2-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]ethanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-oxidanylidene-2-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]ethanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-oxo-2-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1,2-dioxo-2-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-oxo-2-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NNC(=C3C=CC(=O)C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NNC(=C3C=CC(=O)C=C3)C

InChI

InChI=1S/C22H25N3O5S/c1-3-30-22(29)18-16-7-5-4-6-8-17(16)31-21(18)23-19(27)20(28)25-24-13(2)14-9-11-15(26)12-10-14/h9-12,24H,3-8H2,1-2H3,(H,23,27)(H,25,28)