ethyl 2-acetamido-7-phenylsulfanyl-6-[(prop-2-enylamino)methyl]-4,5-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-phenylsulfanyl-6-[(prop-2-enylamino)methyl]-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-[(allylamino)methyl]-7-phenylsulfanyl-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-7-(phenylthio)-6-[(prop-2-enylamino)methyl]-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-phenylsulfanyl-6-[(prop-2-enylamino)methyl]-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-[(allylamino)methyl]-7-(phenylthio)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)CNCC=C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)CNCC=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/h4,6-10,24H,1,5,11-14H2,2-3H3,(H,25,26)