[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O3S2/c23-16(22-19-21-13-6-2-4-8-15(13)27-19)11-25-18(24)10-9-17-20-12-5-1-3-7-14(12)26-17/h1-8H,9-11H2,(H,21,22,23)