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

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propionic acid Formula: C21H20ClNO5S MolecularWeight: 433.9052

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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(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)