(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H17NO3S/c18-16(19)15(11-6-2-1-3-7-11)21-17(20)14-10-12-8-4-5-9-13(12)22-14/h1-3,6-7,10,15H,4-5,8-9H2,(H2,18,19)