[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H19N3O3S2/c28-22(26-24-25-16-7-1-4-10-19(16)32-24)15-30-23(29)13-14-27-17-8-2-5-11-20(17)31-21-12-6-3-9-18(21)27/h1-12H,13-15H2,(H,25,26,28)