(2-acetamido-3-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophen-6-yl)methyl-prop-2-enyl-azanium

Systemtic Name: (2-acetamido-3-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophen-6-yl)methyl-prop-2-enyl-azanium Openeye Name: (2-acetamido-3-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydrobenzothiophen-6-yl)methyl-allyl-ammonium CAS Name: [2-acetamido-3-ethoxycarbonyl-7-(phenylthio)-4,5-dihydro-1-benzothiophen-6-yl]methyl-prop-2-enylammonium IUPAC Name: (2-acetamido-3-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophen-6-yl)methyl-prop-2-enylazanium Traditional Name: [2-acetamido-3-carbethoxy-7-(phenylthio)-4,5-dihydrobenzothiophen-6-yl]methyl-allyl-ammonium Formula: C23H27N2O3S2+ MolecularWeight: 443.60208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C[NH2+]CC=C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(=C2SC3=CC=CC=C3)C[NH2+]CC=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)/p+1