ethyl 3-azanyl-2-[(phenylmethyl)carbamothioyl]-3-pyrrolidin-1-yl-prop-2-enoate

Systemtic Name: ethyl 3-azanyl-2-[(phenylmethyl)carbamothioyl]-3-pyrrolidin-1-yl-prop-2-enoate Openeye Name: ethyl 3-amino-2-(benzylcarbamothioyl)-3-pyrrolidin-1-yl-prop-2-enoate CAS Name: 3-amino-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-3-(1-pyrrolidinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(benzylcarbamothioyl)-3-pyrrolidin-1-ylprop-2-enoate Traditional Name: 3-amino-2-(benzylthiocarbamoyl)-3-pyrrolidino-acrylic acid ethyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCCC1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=C(N)N1CCCC1)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2S/c1-2-22-17(21)14(15(18)20-10-6-7-11-20)16(23)19-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,18H2,1H3,(H,19,23)