[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C15H11N3O3S2 MolecularWeight: 345.39614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)C=CC3=CSC=C3

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C15H11N3O3S2/c19-13(8-21-14(20)5-4-10-6-7-22-9-10)16-11-2-1-3-12-15(11)18-23-17-12/h1-7,9H,8H2,(H,16,19)/b5-4+