(3-chloranyl-1-benzothiophen-2-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)OCC(=O)N

InChI

InChI=1S/C19H16ClNO5S/c1-24-14-8-11(6-7-13(14)25-10-17(21)22)19(23)26-9-16-18(20)12-4-2-3-5-15(12)27-16/h2-8H,9-10H2,1H3,(H2,21,22)