[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COCC(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COCC(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H13N3O4S2/c18-7-11-5-6-25-17(11)20-14(21)8-24-16(22)10-23-9-15-19-12-3-1-2-4-13(12)26-15/h1-6H,8-10H2,(H,20,21)