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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid piperonyl ester Formula: C19H14ClNO5S MolecularWeight: 403.83616

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H14ClNO5S/c20-17-12-3-1-2-4-15(12)27-18(17)19(23)21-8-16(22)24-9-11-5-6-13-14(7-11)26-10-25-13/h1-7H,8-10H2,(H,21,23)