[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-23(2)15-10-8-14(9-11-15)12-24(3)18(25)13-27-21(26)20-19(22)16-6-4-5-7-17(16)28-20/h4-11H,12-13H2,1-3H3