2-[5-(acetamidomethyl)-2-ethoxycarbonyl-1H-indol-3-yl]ethyl-[methylsulfanyl(phenylazanyl)methylidene]azanium

Systemtic Name: 2-[5-(acetamidomethyl)-2-ethoxycarbonyl-1H-indol-3-yl]ethyl-[methylsulfanyl(phenylazanyl)methylidene]azanium Openeye Name: 2-[5-(acetamidomethyl)-2-ethoxycarbonyl-1H-indol-3-yl]ethyl-[anilino(methylsulfanyl)methylene]ammonium CAS Name: 2-[5-(acetamidomethyl)-2-ethoxycarbonyl-1H-indol-3-yl]ethyl-[anilino-(methylthio)methylidene]ammonium IUPAC Name: 2-[5-(acetamidomethyl)-2-ethoxycarbonyl-1H-indol-3-yl]ethyl-[anilino(methylsulfanyl)methylidene]azanium Traditional Name: 2-[5-(acetamidomethyl)-2-carbethoxy-1H-indol-3-yl]ethyl-[anilino-(methylthio)methylene]ammonium Formula: C24H29N4O3S+ MolecularWeight: 453.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CNC(=O)C)CC[NH+]=C(NC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CNC(=O)C)CC[NH+]=C(NC3=CC=CC=C3)SC

InChI

InChI=1S/C24H28N4O3S/c1-4-31-23(30)22-19(12-13-25-24(32-3)27-18-8-6-5-7-9-18)20-14-17(15-26-16(2)29)10-11-21(20)28-22/h5-11,14,28H,4,12-13,15H2,1-3H3,(H,25,27)(H,26,29)/p+1