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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15N3O4S/c20-9-13-4-3-5-14(8-13)21-17(23)10-26-19(24)12-25-11-18-22-15-6-1-2-7-16(15)27-18/h1-8H,10-12H2,(H,21,23)