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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(cyclohexylmethylamino)-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-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H22ClNO3S/c21-20-15-8-4-5-9-16(15)26-17(20)10-11-19(24)25-13-18(23)22-12-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12-13H2,(H,22,23)/b11-10+