3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide CAS Name: 3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propionamide Formula: C19H21N5O5S3 MolecularWeight: 495.59554

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C19H21N5O5S3/c1-2-11-30-18-22-21-17(31-18)20-16(25)7-10-24-14-6-5-13(12-15(14)29-19(24)26)32(27,28)23-8-3-4-9-23/h2,5-6,12H,1,3-4,7-11H2,(H,20,21,25)