ethyl 3-[5-[(5-benzamido-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate

Systemtic Name: ethyl 3-[5-[(5-benzamido-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: ethyl 3-[5-(5-benzamidothiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-[(5-benzamido-2-thiazolyl)thio]-1,3,4-thiadiazol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-[(5-benzamido-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-[(5-benzamidothiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propionic acid ethyl ester Formula: C17H16N4O3S3 MolecularWeight: 420.52894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN=C(S1)SC2=NC=C(S2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=NN=C(S1)SC2=NC=C(S2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S3/c1-2-24-14(22)9-8-12-20-21-17(25-12)27-16-18-10-13(26-16)19-15(23)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,19,23)