ethyl 2-(3-methoxynaphthalen-2-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3-methoxynaphthalen-2-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-methoxynaphthalene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-methoxy-2-naphthalenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methoxynaphthalene-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-methoxy-2-naphthoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4C=C3OC)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4C=C3OC)S2)CC#C

InChI

InChI=1S/C25H20N2O4S/c1-4-12-27-20-11-10-18(24(29)31-5-2)15-22(20)32-25(27)26-23(28)19-13-16-8-6-7-9-17(16)14-21(19)30-3/h1,6-11,13-15H,5,12H2,2-3H3