(phenylmethyl) 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: benzyl 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]acetic acid benzyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c1-2-14-8-9-17-16(10-14)11-18(25-17)20(23)21-12-19(22)24-13-15-6-4-3-5-7-15/h3-7,11,14H,2,8-10,12-13H2,1H3,(H,21,23)