methyl 3-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-10-3-4-11(17(23)24-2)7-14(10)20-16(22)9-26-18-21-13-6-5-12(19)8-15(13)25-18/h3-8H,9H2,1-2H3,(H,20,22)