thiophen-2-ylmethyl N-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate

Systemtic Name: thiophen-2-ylmethyl N-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate Openeye Name: 2-thienylmethyl N-[4-[(E)-3-(4-morpholino-2-quinolyl)prop-2-enoyl]phenyl]carbamate CAS Name: N-[4-[(E)-3-[4-(4-morpholinyl)-2-quinolinyl]-1-oxoprop-2-enyl]phenyl]carbamic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl N-[4-[(E)-3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate Traditional Name: N-[4-[(E)-3-(4-morpholino-2-quinolyl)acryloyl]phenyl]carbamic acid 2-thenyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC3=CC=CC=C32)C=CC(=O)C4=CC=C(C=C4)NC(=O)OCC5=CC=CS5

Isomeric SMILES

C1COCCN1C2=CC(=NC3=CC=CC=C32)/C=C/C(=O)C4=CC=C(C=C4)NC(=O)OCC5=CC=CS5

InChI

InChI=1S/C28H25N3O4S/c32-27(20-7-9-21(10-8-20)30-28(33)35-19-23-4-3-17-36-23)12-11-22-18-26(31-13-15-34-16-14-31)24-5-1-2-6-25(24)29-22/h1-12,17-18H,13-16,19H2,(H,30,33)/b12-11+