ethyl 2-[[(2S)-2-(4-methanoylphenyl)carbonyloxypropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(4-methanoylphenyl)carbonyloxypropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(4-formylbenzoyl)oxypropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2S)-2-[(4-formylphenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(4-formylbenzoyl)oxypropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-formylbenzoyl)oxypropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C22H23NO6S/c1-3-28-22(27)18-16-6-4-5-7-17(16)30-20(18)23-19(25)13(2)29-21(26)15-10-8-14(12-24)9-11-15/h8-13H,3-7H2,1-2H3,(H,23,25)/t13-/m0/s1