[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O6S MolecularWeight: 460.88748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN2O6S/c1-11(20(26)24-12-6-7-14-15(8-12)29-10-28-14)30-17(25)9-23-21(27)19-18(22)13-4-2-3-5-16(13)31-19/h2-8,11H,9-10H2,1H3,(H,23,27)(H,24,26)