methyl 4-[[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(5-chloro-2-thienyl)methyl-methyl-amino]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(5-chloro-2-thiophenyl)methyl-methylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(5-chloro-2-thienyl)methyl-methyl-amino]propanoylamino]methyl]benzoic acid methyl ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N(C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-12(21(2)11-15-8-9-16(19)25-15)17(22)20-10-13-4-6-14(7-5-13)18(23)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)