[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-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-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C22H22ClNO3S/c1-4-11-24-14(2)12-17(15(24)3)18(25)13-27-21(26)10-9-20-22(23)16-7-5-6-8-19(16)28-20/h5-10,12H,4,11,13H2,1-3H3/b10-9+