ethyl 2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C=CC=C(C3=O)CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C=CC=C(C3=O)CC=C

InChI

InChI=1S/C21H23NO3S/c1-3-8-14-9-7-10-15(19(14)23)13-22-20-18(21(24)25-4-2)16-11-5-6-12-17(16)26-20/h3,7,9-10,13,22H,1,4-6,8,11-12H2,2H3