methyl 2-(3-methoxynaphthalen-2-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(3-methoxynaphthalen-2-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(3-methoxynaphthalene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-methoxy-2-naphthalenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methoxynaphthalene-2-carbonyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(3-methoxy-2-naphthoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H20N2O4S MolecularWeight: 432.4916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC=C

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC=C

InChI

InChI=1S/C24H20N2O4S/c1-4-11-26-19-10-9-17(23(28)30-3)14-21(19)31-24(26)25-22(27)18-12-15-7-5-6-8-16(15)13-20(18)29-2/h4-10,12-14H,1,11H2,2-3H3