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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-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-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-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-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H13ClN2O3S MolecularWeight: 348.80402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C16H13ClN2O3S/c17-16-11-4-1-2-5-12(11)23-13(16)6-7-15(21)22-10-14(20)19-9-3-8-18/h1-2,4-7H,3,9-10H2,(H,19,20)/b7-6+