N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethanoyl-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-ethanoyl-benzamide Openeye Name: 4-acetyl-N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-acetyl-N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-acetyl-N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-acetyl-N-(7-chloro-4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)OC)CC#C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)OC)CC#C

InChI

InChI=1S/C20H15ClN2O3S/c1-4-11-23-17-16(26-3)10-9-15(21)18(17)27-20(23)22-19(25)14-7-5-13(6-8-14)12(2)24/h1,5-10H,11H2,2-3H3