ethyl 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C29H25N3O5S2 MolecularWeight: 559.6559

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)S2)CC#C

InChI

InChI=1S/C29H25N3O5S2/c1-3-17-31-25-16-13-22(28(34)37-4-2)19-26(25)38-29(31)30-27(33)21-11-14-23(15-12-21)39(35,36)32-18-7-9-20-8-5-6-10-24(20)32/h1,5-6,8,10-16,19H,4,7,9,17-18H2,2H3