ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-chloranyl-but-2-enoate

Systemtic Name: ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-chloranyl-but-2-enoate Openeye Name: ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-chloro-but-2-enoate CAS Name: (E)-3-(2-benzo[e][1,3]benzothiazolylamino)-2-chloro-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-chlorobut-2-enoate Traditional Name: (E)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-2-chloro-but-2-enoic acid ethyl ester Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NC1=NC2=C(S1)C=CC3=CC=CC=C32)Cl

Isomeric SMILES

CCOC(=O)/C(=C(/C)\NC1=NC2=C(S1)C=CC3=CC=CC=C32)/Cl

InChI

InChI=1S/C17H15ClN2O2S/c1-3-22-16(21)14(18)10(2)19-17-20-15-12-7-5-4-6-11(12)8-9-13(15)23-17/h4-9H,3H2,1-2H3,(H,19,20)/b14-10+