methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(1,3-benzothiazol-2-yl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(1,3-benzothiazol-2-yl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-(1,3-benzothiazol-2-yl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-(1,3-benzothiazol-2-yl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-(1,3-benzothiazol-2-yl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(1,3-benzothiazol-2-yl)methyl]thio]acetic acid methyl ester Formula: C17H15ClN2O2S2 MolecularWeight: 378.8962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(C1=C(C=CC(=C1)Cl)N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CSC(C1=C(C=CC(=C1)Cl)N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15ClN2O2S2/c1-22-15(21)9-23-16(11-8-10(18)6-7-12(11)19)17-20-13-4-2-3-5-14(13)24-17/h2-8,16H,9,19H2,1H3