[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c16-6-3-7-17-13(19)8-22-15(20)10-21-9-14-18-11-4-1-2-5-12(11)23-14/h1-2,4-5H,3,7-10H2,(H,17,19)