methyl 1-[2-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[1,3-benzothiazol-2-yl(tetrahydrofuran-2-ylmethyl)amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[1,3-benzothiazol-2-yl(2-oxolanylmethyl)amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[1,3-benzothiazol-2-yl(tetrahydrofurfuryl)amino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N3O4S/c1-30-23(29)18-14-26(20-10-4-2-8-17(18)20)15-22(28)27(13-16-7-6-12-31-16)24-25-19-9-3-5-11-21(19)32-24/h2-5,8-11,14,16H,6-7,12-13,15H2,1H3