ethyl N-hexadecylsulfonyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate

Systemtic Name: ethyl N-hexadecylsulfonyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate Openeye Name: ethyl N-hexadecylsulfonyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate CAS Name: N-hexadecylsulfonyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamic acid ethyl ester IUPAC Name: ethyl N-hexadecylsulfonyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate Traditional Name: N-cetylsulfonyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamic acid ethyl ester Formula: C27H45N3O4S2 MolecularWeight: 539.7939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)N(C(=O)OCC)N=C1N(C2=CC=CC=C2S1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)N(C(=O)OCC)/N=C/1\N(C2=CC=CC=C2S1)C

InChI

InChI=1S/C27H45N3O4S2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-36(32,33)30(27(31)34-5-2)28-26-29(3)24-21-18-19-22-25(24)35-26/h18-19,21-22H,4-17,20,23H2,1-3H3/b28-26+