methyl 3-[[4-[(2S)-2-azanylpropyl]-1,3-thiazol-2-yl]amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[4-[(2S)-2-azanylpropyl]-1,3-thiazol-2-yl]amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[4-[(2S)-2-aminopropyl]thiazol-2-yl]amino]-4-chloro-benzoate CAS Name: 3-[[4-[(2S)-2-aminopropyl]-2-thiazolyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2S)-2-aminopropyl]-1,3-thiazol-2-yl]amino]-4-chlorobenzoate Traditional Name: 3-[[4-[(2S)-2-aminopropyl]thiazol-2-yl]amino]-4-chloro-benzoic acid methyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CSC(=N1)NC2=C(C=CC(=C2)C(=O)OC)Cl)N

Isomeric SMILES

C[C@@H](CC1=CSC(=N1)NC2=C(C=CC(=C2)C(=O)OC)Cl)N

InChI

InChI=1S/C14H16ClN3O2S/c1-8(16)5-10-7-21-14(17-10)18-12-6-9(13(19)20-2)3-4-11(12)15/h3-4,6-8H,5,16H2,1-2H3,(H,17,18)/t8-/m0/s1