ethyl 2-[(3-oxidanylidenecyclohexen-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-oxidanylidenecyclohexen-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-oxocyclohexen-1-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-oxo-1-cyclohexenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-oxocyclohexen-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-ketocyclohexen-1-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC(=O)CCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC(=O)CCC3

InChI

InChI=1S/C17H21NO3S/c1-2-21-17(20)15-13-8-3-4-9-14(13)22-16(15)18-11-6-5-7-12(19)10-11/h10,18H,2-9H2,1H3