(3S)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: (3S)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: (3S)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoate IUPAC Name: (3S)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoate Traditional Name: (3S)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propionate Formula: C21H19ClNO5S- MolecularWeight: 432.89726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5S/c1-3-28-15-9-8-12(10-16(15)27-2)14(11-18(24)25)23-21(26)20-19(22)13-6-4-5-7-17(13)29-20/h4-10,14H,3,11H2,1-2H3,(H,23,26)(H,24,25)/p-1/t14-/m0/s1