[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H14ClNO5S MolecularWeight: 415.84686

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClNO5S/c21-20-13-3-1-2-4-16(13)28-17(20)7-8-19(24)25-10-18(23)22-12-5-6-14-15(9-12)27-11-26-14/h1-9H,10-11H2,(H,22,23)/b8-7+