ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClNO3S/c1-2-25-20(24)15(12-13-8-4-3-5-9-13)22-19(23)18-17(21)14-10-6-7-11-16(14)26-18/h3-11,15H,2,12H2,1H3,(H,22,23)