ethyl 2-azanyl-3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate

Systemtic Name: ethyl 2-azanyl-3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: ethyl 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 2-amino-3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid ethyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1)SC(=C2C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1)SC(=C2C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C18H19NO3S/c1-2-22-18(21)12-8-9-13-14(10-12)23-17(19)15(13)16(20)11-6-4-3-5-7-11/h3-7,12H,2,8-10,19H2,1H3