[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H14ClNO5S MolecularWeight: 379.81476

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)OCC(=O)NCC3=CC=CS3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)OCC(=O)NCC3=CC=CS3)Cl

InChI

InChI=1S/C17H14ClNO5S/c18-13-6-11(7-14-17(13)24-10-23-14)3-4-16(21)22-9-15(20)19-8-12-2-1-5-25-12/h1-7H,8-10H2,(H,19,20)/b4-3+