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

Systemtic Name: ethyl 2-[(3-iodanyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-iodo-5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-iodo-5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-iodo-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-iodo-6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20INO3S MolecularWeight: 469.33647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20INO3S/c1-3-24-19(23)16-14-6-4-5-7-15(14)25-18(16)21-10-12-9-13(20)8-11(2)17(12)22/h8-10,21H,3-7H2,1-2H3