2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C16H13NO5S2 MolecularWeight: 363.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C=CC3=CSC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C16H13NO5S2/c18-15(6-5-12-7-10-23-11-12)22-9-8-17-16(19)13-3-1-2-4-14(13)24(17,20)21/h1-7,10-11H,8-9H2/b6-5+