S-azanyl 2-aminocarbonyl-6-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenecarbothioate

Systemtic Name: S-azanyl 2-aminocarbonyl-6-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenecarbothioate Openeye Name: S-amino 2-carbamoyl-6-[(3-phenylisoxazol-5-yl)methyl]benzenecarbothioate CAS Name: 2-carbamoyl-6-[(3-phenyl-5-isoxazolyl)methyl]benzenecarbothioic acid S-amino ester IUPAC Name: S-amino 2-carbamoyl-6-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenecarbothioate Traditional Name: 2-carbamoyl-6-[(3-phenylisoxazol-5-yl)methyl]thiobenzoic acid S-amino ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CC3=CC=CC(=C3C(=O)SN)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CC3=CC=CC(=C3C(=O)SN)C(=O)N

InChI

InChI=1S/C18H15N3O3S/c19-17(22)14-8-4-7-12(16(14)18(23)25-20)9-13-10-15(21-24-13)11-5-2-1-3-6-11/h1-8,10H,9,20H2,(H2,19,22)