prop-2-ynyl N-[3-(5-chloranyl-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamate

Systemtic Name: prop-2-ynyl N-[3-(5-chloranyl-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamate Openeye Name: prop-2-ynyl N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamate CAS Name: N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methylphenyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methylphenyl]carbamate Traditional Name: N-[3-(5-chloro-1,3-benzothiazol-2-yl)-4-methyl-phenyl]carbamic acid propargyl ester Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCC#C)C2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCC#C)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H13ClN2O2S/c1-3-8-23-18(22)20-13-6-4-11(2)14(10-13)17-21-15-9-12(19)5-7-16(15)24-17/h1,4-7,9-10H,8H2,2H3,(H,20,22)