[2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-2-3-10-19-15(20)11-22-16(21)9-8-14-17(18)12-6-4-5-7-13(12)23-14/h4-9H,2-3,10-11H2,1H3,(H,19,20)/b9-8+