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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(S2)Cl

InChI

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