[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O4S2/c1-10(17(24)21-18-11(16(19)23)8-9-26-18)25-15(22)7-6-14-20-12-4-2-3-5-13(12)27-14/h2-5,8-10H,6-7H2,1H3,(H2,19,23)(H,21,24)