3-chloranyl-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(homoveratrylamino)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C21H21ClN2O4S/c1-27-15-8-7-13(11-16(15)28-2)9-10-23-18(25)12-24-21(26)20-19(22)14-5-3-4-6-17(14)29-20/h3-8,11H,9-10,12H2,1-2H3,(H,23,25)(H,24,26)