prop-2-enyl 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoate hydrate

Systemtic Name: prop-2-enyl 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoate hydrate Openeye Name: allyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate hydrate CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetic acid prop-2-enyl ester hydrate IUPAC Name: prop-2-enyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate hydrate Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetic acid allyl ester hydrate Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)N.O

Isomeric SMILES

C=CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)N.O

InChI

InChI=1S/C12H12N2O2S2.H2O/c1-2-5-16-11(15)7-17-12-14-9-4-3-8(13)6-10(9)18-12;/h2-4,6H,1,5,7,13H2;1H2