[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C21H16ClNO5S/c22-15-5-1-3-13-4-2-6-18(21(13)15)29-11-20(25)26-10-19(24)23-14-7-8-16-17(9-14)28-12-27-16/h1-9H,10-12H2,(H,23,24)