[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C20H20ClNO6S MolecularWeight: 437.8939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)N(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)N(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H20ClNO6S/c1-3-6-22(11-14-4-5-17(21)29-14)18(23)12-28-20(24)13-9-15(25-2)19-16(10-13)26-7-8-27-19/h3-5,9-10H,1,6-8,11-12H2,2H3