(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CC1NC(=O)CSC2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H20ClNO5S/c22-15-7-13-9-26-12-28-20(13)14(8-15)10-27-21(25)17-3-1-2-4-18(17)29-11-19(24)23-16-5-6-16/h1-4,7-8,16H,5-6,9-12H2,(H,23,24)