(3S)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxyphenyl)propanoate

Systemtic Name: (3S)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxyphenyl)propanoate Openeye Name: (3S)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-ethoxyphenyl)propanoate CAS Name: (3S)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-ethoxyphenyl)propanoate IUPAC Name: (3S)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-ethoxyphenyl)propanoate Traditional Name: (3S)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-p-phenetyl-propionate Formula: C20H17ClNO4S- MolecularWeight: 402.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClNO4S/c1-2-26-13-9-7-12(8-10-13)15(11-17(23)24)22-20(25)19-18(21)14-5-3-4-6-16(14)27-19/h3-10,15H,2,11H2,1H3,(H,22,25)(H,23,24)/p-1/t15-/m0/s1