2-[[2-[(4-dimethylaminophenyl)carbamoyl-ethyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[2-[(4-dimethylaminophenyl)carbamoyl-ethyl-amino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[(4-dimethylaminophenyl)carbamoyl-ethyl-amino]indan-5-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[[4-(dimethylamino)anilino]-oxomethyl]-ethylamino]-2,3-dihydro-1H-inden-5-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[2-[(4-dimethylaminophenyl)carbamoyl-ethylamino]-2,3-dihydro-1H-inden-5-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[2-[(4-dimethylaminophenyl)carbamoyl-ethyl-amino]indan-5-yl]thio]-2-methyl-propionic acid Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCN(C1CC2=C(C1)C=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H31N3O3S/c1-6-27(23(30)25-18-8-10-19(11-9-18)26(4)5)20-13-16-7-12-21(15-17(16)14-20)31-24(2,3)22(28)29/h7-12,15,20H,6,13-14H2,1-5H3,(H,25,30)(H,28,29)