methyl (3R)-3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3R)-3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (3R)-3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (3R)-3-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3R)-3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (3R)-3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C[C@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-28-18(26)11-15(13-7-3-2-4-8-13)24-17(25)12-23-21(27)20-19(22)14-9-5-6-10-16(14)29-20/h2-10,15H,11-12H2,1H3,(H,23,27)(H,24,25)/t15-/m1/s1