3-[(3-acetamido-2-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophen-6-yl)methylideneamino]propyl-diethyl-azanium

Systemtic Name: 3-[(3-acetamido-2-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophen-6-yl)methylideneamino]propyl-diethyl-azanium Openeye Name: 3-[(3-acetamido-2-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydrobenzothiophen-6-yl)methyleneamino]propyl-diethyl-ammonium CAS Name: 3-[[3-acetamido-2-ethoxycarbonyl-7-(phenylthio)-4,5-dihydro-1-benzothiophen-6-yl]methylideneamino]propyl-diethylammonium IUPAC Name: 3-[(3-acetamido-2-ethoxycarbonyl-7-phenylsulfanyl-4,5-dihydro-1-benzothiophen-6-yl)methylideneamino]propyl-diethylazanium Traditional Name: 3-[[3-acetamido-2-carbethoxy-7-(phenylthio)-4,5-dihydrobenzothiophen-6-yl]methyleneamino]propyl-diethyl-ammonium Formula: C27H36N3O3S2+ MolecularWeight: 514.72304

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN=CC1=C(C2=C(CC1)C(=C(S2)C(=O)OCC)NC(=O)C)SC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCCN=CC1=C(C2=C(CC1)C(=C(S2)C(=O)OCC)NC(=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3S2/c1-5-30(6-2)17-11-16-28-18-20-14-15-22-23(29-19(4)31)26(27(32)33-7-3)35-25(22)24(20)34-21-12-9-8-10-13-21/h8-10,12-13,18H,5-7,11,14-17H2,1-4H3,(H,29,31)/p+1