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

Systemtic Name: [(5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methylsulfanyl-azanyl-methylidene]azanium Openeye Name: [(5-acetoxy-6-bromo-3-ethoxycarbonyl-1-methyl-indol-2-yl)methylsulfanyl-amino-methylene]ammonium CAS Name: [[(5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methyl-2-indolyl)methylthio]-aminomethylidene]ammonium IUPAC Name: [(5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methylindol-2-yl)methylsulfanyl-aminomethylidene]azanium Traditional Name: [[(5-acetoxy-6-bromo-3-carbethoxy-1-methyl-indol-2-yl)methylthio]-amino-methylene]ammonium Formula: C16H19BrN3O4S+ MolecularWeight: 429.30876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O4S/c1-4-23-15(22)14-9-5-13(24-8(2)21)10(17)6-11(9)20(3)12(14)7-25-16(18)19/h5-6H,4,7H2,1-3H3,(H3,18,19)/p+1