[[5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)indol-2-yl]methylsulfanyl-azanyl-methylidene]azanium bromide

Systemtic Name: [[5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)indol-2-yl]methylsulfanyl-azanyl-methylidene]azanium bromide Openeye Name: [[5-acetoxy-6-bromo-3-ethoxycarbonyl-1-(4-methoxyphenyl)indol-2-yl]methylsulfanyl-amino-methylene]ammonium bromide CAS Name: [[[5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-(4-methoxyphenyl)-2-indolyl]methylthio]-aminomethylidene]ammonium bromide IUPAC Name: [[5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-(4-methoxyphenyl)indol-2-yl]methylsulfanyl-aminomethylidene]azanium bromide Traditional Name: [[[5-acetoxy-6-bromo-3-carbethoxy-1-(4-methoxyphenyl)indol-2-yl]methylthio]-amino-methylene]ammonium bromide Formula: C22H23Br2N3O5S MolecularWeight: 601.30812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)OC)CSC(=[NH2+])N.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)OC)CSC(=[NH2+])N.[Br-]

InChI

InChI=1S/C22H22BrN3O5S.BrH/c1-4-30-21(28)20-15-9-19(31-12(2)27)16(23)10-17(15)26(18(20)11-32-22(24)25)13-5-7-14(29-3)8-6-13;/h5-10H,4,11H2,1-3H3,(H3,24,25);1H