4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]amino]butyric acid Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H15N3O3S2/c21-14(8-9-15(22)23)18-16-19-20-17(25-16)24-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,22,23)(H,18,19,21)