methyl 3-(2-azanyl-1,3-benzothiazol-6-yl)-2-formamido-propanoate

Systemtic Name: methyl 3-(2-azanyl-1,3-benzothiazol-6-yl)-2-formamido-propanoate Openeye Name: methyl 3-(2-amino-1,3-benzothiazol-6-yl)-2-formamido-propanoate CAS Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-formamidopropanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-1,3-benzothiazol-6-yl)-2-formamidopropanoate Traditional Name: 3-(2-amino-1,3-benzothiazol-6-yl)-2-formamido-propionic acid methyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)N=C(S2)N)NC=O

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)N=C(S2)N)NC=O

InChI

InChI=1S/C12H13N3O3S/c1-18-11(17)9(14-6-16)4-7-2-3-8-10(5-7)19-12(13)15-8/h2-3,5-6,9H,4H2,1H3,(H2,13,15)(H,14,16)