[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H16ClNO5S MolecularWeight: 417.86274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClNO5S/c1-11(12-6-7-14-15(8-12)27-10-26-14)22-17(23)9-25-20(24)19-18(21)13-4-2-3-5-16(13)28-19/h2-8,11H,9-10H2,1H3,(H,22,23)