ethyl (2S,3S)-2-acetamido-7-phenylsulfanyl-6-(prop-2-enyliminomethyl)-2,3,4,5-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (2S,3S)-2-acetamido-7-phenylsulfanyl-6-(prop-2-enyliminomethyl)-2,3,4,5-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (2S,3S)-2-acetamido-6-(allyliminomethyl)-7-phenylsulfanyl-2,3,4,5-tetrahydrobenzothiophene-3-carboxylate CAS Name: (2S,3S)-2-acetamido-7-(phenylthio)-6-(prop-2-enyliminomethyl)-2,3,4,5-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-acetamido-7-phenylsulfanyl-6-(prop-2-enyliminomethyl)-2,3,4,5-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (2S,3S)-2-acetamido-6-(allyliminomethyl)-7-(phenylthio)-2,3,4,5-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=C1CCC(=C2SC3=CC=CC=C3)C=NCC=C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](SC2=C1CCC(=C2SC3=CC=CC=C3)C=NCC=C)NC(=O)C

InChI

InChI=1S/C23H26N2O3S2/c1-4-13-24-14-16-11-12-18-19(23(27)28-5-2)22(25-15(3)26)30-21(18)20(16)29-17-9-7-6-8-10-17/h4,6-10,14,19,22H,1,5,11-13H2,2-3H3,(H,25,26)/t19-,22+/m1/s1