(3-chloranyl-1-benzothiophen-2-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClNO3S/c1-13-6-2-3-7-14(13)20(24)22-11-10-18(23)25-12-17-19(21)15-8-4-5-9-16(15)26-17/h2-9H,10-12H2,1H3,(H,22,24)