[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S2/c20-18(25)12-9-10-27-19(12)22-15(23)11-26-17(24)8-4-3-7-16-21-13-5-1-2-6-14(13)28-16/h1-2,5-6,9-10H,3-4,7-8,11H2,(H2,20,25)(H,22,23)